N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

C18H28N4O3 — CID 95976098

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-13-10-14(2)20-17(23)16(13)11-19-18(24)22-7-5-21(6-8-22)12-15-4-3-9-25-15/h10,15H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyJKBDWXIKJSVWFZ-OAHLLOKOSA-N
MW348.45 g/mol
LogP1.00
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 95976098) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
PubChem CID95976098
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-13-10-14(2)20-17(23)16(13)11-19-18(24)22-7-5-21(6-8-22)12-15-4-3-9-25-15/h10,15H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyJKBDWXIKJSVWFZ-OAHLLOKOSA-N
XLogP1.00
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 95142078
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 51084434
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 38265207
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (CID 95976098) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is Cc1cc(C)c(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is JKBDWXIKJSVWFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-10-14(2)20-17(23)16(13)11-19-18(24)22-7-5-21(6-8-22)12-15-4-3-9-25-15/h10,15H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95976098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).